Molecular Properties | |
SMILES: | OCCCSCCCOc1csc(CCl)n1 |
MW: | 281.03 |
Fraction sp3: | 0.7 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 9 |
TPSA: | 42.35 |
cLogP: | 2.77 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Aliphatic long chain
Filter6_benzyl_halide
Long aliphatic chain
Unbranched chain
Alkyl Halide
MAR-TRE-36bf7dba-70
0.618
MAR-TRE-36bf7dba-86
0.600
MAR-TRE-36bf7dba-8
0.586
MAR-TRE-36bf7dba-7
0.526
MAR-TRE-36bf7dba-20
0.492
MAR-TRE-36bf7dba-45
0.471
MAR-TRE-36bf7dba-80
0.469
MAR-TRE-36bf7dba-19
0.462
MAR-TRE-36bf7dba-100
0.462
MAR-TRE-36bf7dba-6
0.458
MAR-TRE-36bf7dba-50
0.453
MAR-TRE-36bf7dba-2
0.443
MAR-TRE-36bf7dba-25
0.441
MAR-TRE-36bf7dba-5
0.429
MAR-TRE-36bf7dba-3
0.422
MAR-TRE-36bf7dba-15
0.408
MAR-TRE-36bf7dba-81
0.406
MAR-TRE-36bf7dba-10
0.397
MAR-TRE-36bf7dba-39
0.397
MAR-TRE-36bf7dba-12
0.394
MAR-TRE-36bf7dba-60
0.377
MAR-TRE-36bf7dba-87
0.377
MAR-TRE-36bf7dba-38
0.364
MAR-TRE-36bf7dba-83
0.361
MAR-TRE-36bf7dba-96
0.356
MAR-TRE-36bf7dba-46
0.354
MAR-TRE-36bf7dba-94
0.351
MAR-TRE-36bf7dba-85
0.342
MAR-TRE-36bf7dba-9
0.338
MAR-TRE-36bf7dba-1
0.338
MAR-TRE-36bf7dba-22
0.333
MAR-TRE-36bf7dba-95
0.324
MAR-TRE-36bf7dba-99
0.324
MAR-TRE-36bf7dba-43
0.324
MAR-TRE-36bf7dba-11
0.321
MAR-TRE-36bf7dba-72
0.320
MAR-TRE-36bf7dba-28
0.315
MAR-TRE-36bf7dba-23
0.314
MAR-TRE-36bf7dba-49
0.313
MAR-TRE-36bf7dba-14
0.311
MAR-TRE-36bf7dba-62
0.310
MAR-TRE-36bf7dba-4
0.310
MAR-TRE-36bf7dba-36
0.306
MAR-TRE-36bf7dba-51
0.306
MAR-TRE-36bf7dba-48
0.304
MAR-TRE-36bf7dba-91
0.304
MAR-TRE-36bf7dba-90
0.304
MAR-TRE-36bf7dba-67
0.301
MAR-TRE-36bf7dba-41
0.301
MAR-TRE-36bf7dba-69
0.300
MAR-TRE-36bf7dba-79
0.300
MAR-TRE-36bf7dba-97
0.300
MAR-TRE-36bf7dba-17
0.297
MAR-TRE-36bf7dba-47
0.295
MAR-TRE-36bf7dba-59
0.293
MAR-TRE-36bf7dba-53
0.292
MAR-TRE-36bf7dba-89
0.292
MAR-TRE-36bf7dba-31
0.292
MAR-TRE-36bf7dba-37
0.289
MAR-TRE-36bf7dba-40
0.289
MAR-TRE-36bf7dba-93
0.286
MAR-TRE-36bf7dba-34
0.284
MAR-TRE-36bf7dba-77
0.283
MAR-TRE-36bf7dba-55
0.282
MAR-TRE-36bf7dba-24
0.281
MAR-TRE-36bf7dba-30
0.280
MAR-TRE-36bf7dba-13
0.280
MAR-TRE-36bf7dba-16
0.280
MAR-TRE-36bf7dba-68
0.278
MAR-TRE-36bf7dba-35
0.275
MAR-TRE-36bf7dba-61
0.272
MAR-TRE-36bf7dba-58
0.272
MAR-TRE-36bf7dba-74
0.269
MAR-TRE-36bf7dba-57
0.269
MAR-TRE-36bf7dba-64
0.269
MAR-TRE-36bf7dba-98
0.269
MAR-TRE-36bf7dba-56
0.269
MAR-TRE-36bf7dba-52
0.268
MAR-TRE-36bf7dba-29
0.266
MAR-TRE-36bf7dba-84
0.266
MAR-TRE-36bf7dba-76
0.263
MAR-TRE-36bf7dba-42
0.262
MAR-TRE-36bf7dba-18
0.261
MAR-TRE-36bf7dba-54
0.259
MAR-TRE-36bf7dba-71
0.259
MAR-TRE-36bf7dba-88
0.259
MAR-TRE-36bf7dba-44
0.259
MAR-TRE-36bf7dba-66
0.259
MAR-TRE-36bf7dba-78
0.256
MAR-TRE-36bf7dba-63
0.253
MAR-TRE-36bf7dba-65
0.253
MAR-TRE-36bf7dba-92
0.244
MAR-TRE-36bf7dba-75
0.241
MAR-TRE-36bf7dba-32
0.241
MAR-TRE-36bf7dba-82
0.239
MAR-TRE-36bf7dba-73
0.234
MAR-TRE-36bf7dba-26
0.214
MAR-TRE-36bf7dba-27
0.208
MAR-TRE-36bf7dba-21
0.206
MAR-TRE-423310b6-8
0.203